在法医毒理学系统中使用顺序窗口获取所有理论碎片离子谱(SWATH),这是一种独立于数据的获取高分辨率质谱的方法:综述。

IF 2.6 3区 医学 Q2 BIOCHEMICAL RESEARCH METHODS Drug Testing and Analysis Pub Date : 2024-05-09 DOI:10.1002/dta.3700
Maria Sarkisian, Luke N Rodda
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引用次数: 0

摘要

所有理论碎片离子谱的顺序窗口采集(SWATH)是一种独立于数据的高分辨率质谱采集技术。与更有针对性的采集方案相比,这种独立于数据的采集技术的强大之处在于它能够通过使用 SWATH 采集窗口(Q1 四极杆隔离窗口)来减少干扰,同时还能获得所有准确的质量信息。然而,与高分辨率质谱技术一样,由于需要复杂的处理能力来有效管理大量的采集数据,该技术在法医毒理学中的常规和高通量应用受到了限制。因此,建立一个高效且经过验证的鉴定标准至关重要,该标准可以可靠地报告疑似阳性检测结果,作为最终报告的确认技术。本综述研究了在法医毒理学框架内实施 SWATH 的所有出版物,并提出了最佳实践和常用标准。对 17 篇出版物的提取、液相色谱和质谱参数进行了审查,更具体地说,对所有 SWATH 适用特征进行了审查,包括喷雾电压、碰撞能量和扩散、质量误差、同位素比值差异、保留时间误差和库评分阈值。尽管 SWATH 的实施给实验室带来了挑战,但该技术证明了其在常规法医毒理学检测制度中的应用潜力,并有助于同时检测常见药物和新出现的新型药物。
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The use of sequential window acquisition of all theoretical fragment ion spectra (SWATH), a data-independent acquisition high-resolution mass spectrometry  approach, in forensic toxicological regimes: A review.

Sequential window acquisition of all theoretical fragment ion spectra (SWATH) is a type of high-resolution mass spectrometry that uses data-independent acquisition. Compared with more targeted acquisition schemes, the power behind this data-independent acquisition technique comes from its ability to mitigate interferences via the use of SWATH acquisition windows (Q1 quadrupole isolation windows) while still obtaining all accurate mass information. However, consistent with high-resolution mass spectrometry techniques, its routine and high throughput implementation in forensic toxicology is limited due to the complex processing power required to effectively manage the large amount of acquired data. It is therefore pivotal to create an efficient and validated identification criterion that confidently reports suspected positive detections as a confirmational technique for final reporting. This review examines all publications that implemented SWATH in a forensic toxicological framework with suggestive best practices and commonly used criteria. Seventeen publications were reviewed for extraction, liquid chromatography and mass spectrometry parameters, and more specifically for all SWATH applicable characteristics including spray voltages, collision energies and spreads, mass error, isotopic ratio difference, retention time error, and library score thresholds. Notwithstanding the challenges SWATH implementation faces for a laboratory, the technique demonstrates its potential to be utilized in routine forensic toxicology testing regimes and aids in the detection of both common and emerging novel drugs simultaneously.

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来源期刊
Drug Testing and Analysis
Drug Testing and Analysis BIOCHEMICAL RESEARCH METHODS-CHEMISTRY, ANALYTICAL
CiteScore
5.90
自引率
24.10%
发文量
191
审稿时长
2.3 months
期刊介绍: As the incidence of drugs escalates in 21st century living, their detection and analysis have become increasingly important. Sport, the workplace, crime investigation, homeland security, the pharmaceutical industry and the environment are just some of the high profile arenas in which analytical testing has provided an important investigative tool for uncovering the presence of extraneous substances. In addition to the usual publishing fare of primary research articles, case reports and letters, Drug Testing and Analysis offers a unique combination of; ‘How to’ material such as ‘Tutorials’ and ‘Reviews’, Speculative pieces (‘Commentaries’ and ‘Perspectives'', providing a broader scientific and social context to the aspects of analytical testing), ‘Annual banned substance reviews’ (delivering a critical evaluation of the methods used in the characterization of established and newly outlawed compounds). Rather than focus on the application of a single technique, Drug Testing and Analysis employs a unique multidisciplinary approach to the field of controversial compound determination. Papers discussing chromatography, mass spectrometry, immunological approaches, 1D/2D gel electrophoresis, to name just a few select methods, are welcomed where their application is related to any of the six key topics listed below.
期刊最新文献
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